SCHEMBL9999415

SCHEMBL9999415

O=C(O)c1ccccc1CN1CN(c2ccc(F)cc2)C2(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN(CCCN3C(=O)Cc4ccccc43)CC2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45
DRD3 P35462 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL318803 0.96 MEN1 (0.51) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318506 0.90 HTR7 (0.48) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318150 0.85 MEN1 (0.46) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL319846 0.83 MEN1 (0.63) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318554 0.82 MEN1 (0.49) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318307 0.82 MEN1 (0.49) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318681 0.81 MEN1 (0.48) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318770 0.81 HTR7 (0.43) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL18601798 0.78 HTR7 (0.54) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL320153 0.78 MEN1 (0.55) MEN1TP53CYP1A2CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582701-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2013-04-24 EP disclosed
WO-2011160084-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2011-12-22 WO disclosed